☆11Sep 1, 2025Updated 6 months ago
Alternatives and similar repositories for dielectric-pred
Users that are interested in dielectric-pred are comparing it to the libraries listed below
Sorting:
- Phonons from ML force fields☆23Jul 7, 2025Updated 7 months ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆23Oct 28, 2024Updated last year
- Reproduction of CGCNN for predicting material properties☆23Feb 2, 2026Updated last month
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆25Jan 20, 2026Updated last month
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last week
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆13Sep 22, 2025Updated 5 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆11Jan 28, 2026Updated last month
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 4 months ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 4 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- ☆43Updated this week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆28Oct 2, 2025Updated 5 months ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Feb 23, 2026Updated last week
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Mar 30, 2025Updated 11 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆27Feb 18, 2026Updated 2 weeks ago
- Get prediction intervals, confidence intervals, and parameter uncertainties for various machine learning models☆19Feb 9, 2026Updated 3 weeks ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆42Feb 25, 2026Updated last week
- JAX implementation of the NequIP neural network interatomic potential☆16Feb 24, 2026Updated last week
- Different utilities used by our group☆28Feb 6, 2026Updated 3 weeks ago
- A Benchmarking Framework for Crystal GNNs☆20Jan 3, 2024Updated 2 years ago
- ML potentials via transfer learning☆24Feb 11, 2026Updated 3 weeks ago
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆27Mar 8, 2025Updated 11 months ago
- ☆20Oct 18, 2022Updated 3 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆56Feb 23, 2026Updated last week
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆28Aug 20, 2024Updated last year
- ☆36Feb 22, 2026Updated last week
- ☆24Nov 1, 2024Updated last year
- Generate symmetrized force constants☆26Feb 24, 2026Updated last week
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆23Mar 7, 2025Updated 11 months ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- ☆31Jul 8, 2025Updated 7 months ago
- Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs☆55Nov 26, 2025Updated 3 months ago
- ☆22Mar 18, 2024Updated last year
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆48Dec 3, 2025Updated 3 months ago